3NEQ
Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.975598 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.820, 56.578, 80.709 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.854 - 1.250 |
R-factor | 0.1483 |
Rwork | 0.147 |
R-free | 0.16780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vlw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.217 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.355 | 56.580 | 1.320 |
High resolution limit [Å] | 1.250 | 3.950 | 1.250 |
Rmerge | 0.145 | 0.091 | 0.950 |
Number of reflections | 33683 | ||
<I/σ(I)> | 12.1 | 21.3 | 3.9 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 13.7 | 12.6 | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.5 | 277 | Crystallization by evaporation using a screw cap eppendorf tube and allowing slow leaking through the rubber seal. Crystal stabilization is 1M ammonium sulfate, 5% methyl pentane diol before transfering to 80% saturated lithium sulfate as cryosalt and flash cooling in liquid ethane. pH 5.5, EVAPORATION, temperature 277K |